(1-phenyltriazol-4-yl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone

C17H20N8O — CID 56913867

IUPAC(1-phenyltriazol-4-yl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone
SMILESO=C(c1cn(-c2ccccc2)nn1)N1CCN(CCn2cncn2)CC1
InChIInChI=1S/C17H20N8O/c26-17(16-12-25(21-20-16)15-4-2-1-3-5-15)23-9-6-22(7-10-23)8-11-24-14-18-13-19-24/h1-5,12-14H,6-11H2
InChIKeyGUNZMPFURGOQKP-UHFFFAOYSA-N
MW352.40 g/mol
LogP0.32
Rot. Bonds5

About (1-phenyltriazol-4-yl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone

(1-phenyltriazol-4-yl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone (PubChem CID 56913867) has the molecular formula C17H20N8O and a molecular weight of 352.40 g/mol. Its IUPAC name is (1-phenyltriazol-4-yl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-phenyltriazol-4-yl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone
PubChem CID56913867
Molecular FormulaC17H20N8O
Molecular Weight352.40 g/mol
Exact Mass352.18
IUPAC Name(1-phenyltriazol-4-yl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone
SMILESO=C(c1cn(-c2ccccc2)nn1)N1CCN(CCn2cncn2)CC1
InChIInChI=1S/C17H20N8O/c26-17(16-12-25(21-20-16)15-4-2-1-3-5-15)23-9-6-22(7-10-23)8-11-24-14-18-13-19-24/h1-5,12-14H,6-11H2
InChIKeyGUNZMPFURGOQKP-UHFFFAOYSA-N
XLogP0.32
TPSA84.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(4-phenylpiperazin-1-yl)-[1-[2-(4-phenylpiperazin-1-yl)ethyl]triazol-4-yl]methanone;hydrochloride
CID 142648065
2-(benzotriazol-2-yl)-1-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 70724671
(4-aminopiperidin-1-yl)-(1-phenyltriazol-4-yl)methanone
CID 66485052
(3S)-1-phenyl-3-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 97285430
[4-(3-methylphenyl)piperazin-1-yl]-(1-phenyltriazol-4-yl)methanone
CID 46407910
(4-methylsulfonyl-1,4-diazepan-1-yl)-(1-phenyltriazol-4-yl)methanone
CID 43066521
[4-(2-methoxyphenyl)piperazin-1-yl]-(1-phenyltriazol-4-yl)methanone
CID 46547494
[4-(3-hydroxy-3-methylbutyl)phenyl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 56910698
8a-ethyl-7-(1-phenyltriazole-4-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 146042858
[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 96581047
4-(1-phenyltriazole-4-carbonyl)morpholine-2-carboxylic acid
CID 119239902
(3S)-1-(1-phenyltriazole-4-carbonyl)piperidine-3-carboxylic acid
CID 119113549

Frequently Asked Questions

What is the IUPAC name of (1-phenyltriazol-4-yl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone?
The IUPAC name of (1-phenyltriazol-4-yl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone (CID 56913867) is (1-phenyltriazol-4-yl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for (1-phenyltriazol-4-yl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone?
The canonical SMILES for (1-phenyltriazol-4-yl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone is O=C(c1cn(-c2ccccc2)nn1)N1CCN(CCn2cncn2)CC1.
What is the InChIKey of (1-phenyltriazol-4-yl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone?
The InChIKey is GUNZMPFURGOQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N8O/c26-17(16-12-25(21-20-16)15-4-2-1-3-5-15)23-9-6-22(7-10-23)8-11-24-14-18-13-19-24/h1-5,12-14H,6-11H2.
What are the key properties of (1-phenyltriazol-4-yl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone?
(1-phenyltriazol-4-yl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone has a molecular weight of 352.40 g/mol, XLogP of 0.32, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenyltriazol-4-yl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 56913867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).